Vitas-M small molecule compound
[(7E)-7-(2-methoxybenzylidene)-3-(2-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][4-(morpholin-4-yl)-3-nitrophenyl]methanone
Catalog ID
STK889193
SMILES COc1ccccc1C1C2CCC/C(=C\c3ccccc3OC)/C2=NN1C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C33H34N4O6 MW 582.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N4O6/c1-41-29-12-5-3-8-22(29)20-23-9-7-11-26-31(23)34-36(32(26)25-10-4-6-13-30(25)42-2)33(38)24-14-15-27(28(21-24)37(39)40)35-16-18-43-19-17-35/h3-6,8,10,12-15,20-21,26,32H,7,9,11,16-19H2,1-2H3/b23-20+InChIKey
MOAXSUQGWYIMQZ-BSYVCWPDSA-NSynonyms
((7E)3(2METHOXYPHENYL)7((2METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(4MORPHOLIN4YL3NITROPHENYL)METHANONE
((7E)7(2methoxybenzylidene)3(2methoxyphenyl)33a4567hexahydro2Hindazol2yl)(4(morpholin4yl)3nitrophenyl)methanone
COC1=CC=CC=C1C=C2CCCC3C2=NN(C3C4=CC=CC=C4OC)C(=O)C5=CC(=C(C=C5)N6CCOCC6)(N+)(=O)(O)
COc1ccccc1C1C2CCCC(=Cc3ccccc3OC)C2=NN1C(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCOCC1
InChI=1SC33H34N4O6c141291253822(29)202397112631(23)3436(32(26)2510461330(25)422)33(38)24141527(28(2124)37(39)40)35161843191735h36810121520212632H79111619H212H3b2320+
MFCD02699417
ZINC000102928425
ZINC000102967821
Check stock
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Check stock on Vitas-MAvailable files
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